(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol

C18H19FO — CID 114602208

IUPAC(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H19FO/c1-12-8-9-16(19)11-17(12)18(20)15-7-3-6-14(10-15)13-4-2-5-13/h3,6-11,13,18,20H,2,4-5H2,1H3
InChIKeyXPGXWQOVKBPNPK-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.48
Rot. Bonds3

About (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol

(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 114602208) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID114602208
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H19FO/c1-12-8-9-16(19)11-17(12)18(20)15-7-3-6-14(10-15)13-4-2-5-13/h3,6-11,13,18,20H,2,4-5H2,1H3
InChIKeyXPGXWQOVKBPNPK-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol (CID 114602208) is (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is XPGXWQOVKBPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-12-8-9-16(19)11-17(12)18(20)15-7-3-6-14(10-15)13-4-2-5-13/h3,6-11,13,18,20H,2,4-5H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol?
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 270.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 114602208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).